CID 209335

Piperidine, 1-(3-(p-phenoxymethylphenyl)propyl)-

Structural Information

Molecular Formula
C21H27NO
SMILES
C1CCN(CC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-3-9-21(10-4-1)23-18-20-13-11-19(12-14-20)8-7-17-22-15-5-2-6-16-22/h1,3-4,9-14H,2,5-8,15-18H2
InChIKey
AKNHWFMGTNQXEB-UHFFFAOYSA-N
Compound name
1-[3-[4-(phenoxymethyl)phenyl]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.0
[M+Na]+ 332.198478 179.5
[M-H]- 308.201984 183.2
[M+NH4]+ 327.243083 189.2
[M+K]+ 348.172418 174.1
[M+H-H2O]+ 292.206520 166.2
[M+HCOO]- 354.207461 194.8
[M+CH3COO]- 368.223111 185.8
[M+Na-2H]- 330.183926 179.9
[M]+ 309.20871142 173.5
[M]- 309.20980858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.